# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb33093 # _entry.id spkb33093 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H13 N O2" 131.173 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ALA 2 1 n VAL 3 1 n MET 4 1 n LEU 5 1 n LYS 6 1 n PRO 7 1 n TRP 8 1 n THR 9 1 n VAL 10 1 n VAL 11 1 n ALA 12 1 n THR 13 1 n VAL 14 1 n LEU 15 1 n ILE 16 1 n CYS 17 1 n VAL 18 1 n LEU 19 1 n LEU 20 1 n CYS 21 1 n LEU 22 1 n GLY 23 1 n THR 24 1 n PHE 25 1 n VAL 26 1 n ASP 27 1 n ALA 28 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-13 15:25:22)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 87.29 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 58.59 1 1 A ALA 2 2 68.66 1 2 A VAL 3 2 68.24 1 3 A MET 4 2 70.22 1 4 A LEU 5 2 77.42 1 5 A LYS 6 2 81.70 1 6 A PRO 7 2 92.24 1 7 A TRP 8 2 80.70 1 8 A THR 9 2 90.47 1 9 A VAL 10 2 93.93 1 10 A VAL 11 2 94.93 1 11 A ALA 12 2 96.18 1 12 A THR 13 2 92.65 1 13 A VAL 14 2 95.55 1 14 A LEU 15 2 93.53 1 15 A ILE 16 2 95.29 1 16 A CYS 17 2 95.70 1 17 A VAL 18 2 96.68 1 18 A LEU 19 2 94.47 1 19 A LEU 20 2 93.58 1 20 A CYS 21 2 95.40 1 21 A LEU 22 2 93.52 1 22 A GLY 23 2 96.50 1 23 A THR 24 2 93.16 1 24 A PHE 25 2 91.28 1 25 A VAL 26 2 91.60 1 26 A ASP 27 2 82.91 1 27 A ALA 28 2 81.31 1 28 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ALA . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n MET . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LYS . 6 A 6 A 7 1 n PRO . 7 A 7 A 8 1 n TRP . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n CYS . 21 A 21 A 22 1 n LEU . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n THR . 24 A 24 A 25 1 n PHE . 25 A 25 A 26 1 n VAL . 26 A 26 A 27 1 n ASP . 27 A 27 A 28 1 n ALA . 28 A 28 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _struct_asym.entity_id 1 _struct_asym.id A # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? -4.828 18.239 13.973 1.00 58.98 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.705 17.155 14.969 1.00 64.73 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.108 15.952 14.254 1.00 66.88 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.756 15.410 13.372 1.00 62.44 1 A 1 ATOM 5 C CB . MET A 1 1 ? -6.067 16.821 15.591 1.00 59.89 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.536 17.950 16.531 1.00 55.56 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.106 17.574 17.349 1.00 52.40 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.276 19.001 18.433 1.00 47.84 1 A 1 ATOM 9 N N . ALA A 1 2 ? -2.846 15.627 14.524 1.00 69.51 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -2.167 14.501 13.896 1.00 70.13 2 A 1 ATOM 11 C C . ALA A 1 2 ? -2.814 13.206 14.404 1.00 71.24 2 A 1 ATOM 12 O O . ALA A 1 2 ? -2.711 12.878 15.583 1.00 67.10 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -0.669 14.575 14.216 1.00 65.34 2 A 1 ATOM 14 N N . VAL A 1 3 ? -3.523 12.506 13.527 1.00 71.67 3 A 1 ATOM 15 C CA . VAL A 1 3 ? -3.994 11.151 13.809 1.00 72.45 3 A 1 ATOM 16 C C . VAL A 1 3 ? -2.737 10.320 14.056 1.00 74.64 3 A 1 ATOM 17 O O . VAL A 1 3 ? -1.942 10.124 13.138 1.00 70.10 3 A 1 ATOM 18 C CB . VAL A 1 3 ? -4.837 10.607 12.645 1.00 67.40 3 A 1 ATOM 19 C CG1 . VAL A 1 3 ? -5.260 9.155 12.878 1.00 59.78 3 A 1 ATOM 20 C CG2 . VAL A 1 3 ? -6.108 11.443 12.458 1.00 61.63 3 A 1 ATOM 21 N N . MET A 1 4 ? -2.522 9.909 15.314 1.00 75.28 4 A 1 ATOM 22 C CA . MET A 1 4 ? -1.463 8.965 15.675 1.00 76.88 4 A 1 ATOM 23 C C . MET A 1 4 ? -1.780 7.620 15.012 1.00 80.34 4 A 1 ATOM 24 O O . MET A 1 4 ? -2.379 6.727 15.610 1.00 75.87 4 A 1 ATOM 25 C CB . MET A 1 4 ? -1.340 8.833 17.207 1.00 71.13 4 A 1 ATOM 26 C CG . MET A 1 4 ? -0.283 9.766 17.811 1.00 65.68 4 A 1 ATOM 27 S SD . MET A 1 4 ? -0.090 9.494 19.594 1.00 61.51 4 A 1 ATOM 28 C CE . MET A 1 4 ? 1.628 9.973 19.835 1.00 55.07 4 A 1 ATOM 29 N N . LEU A 1 5 ? -1.411 7.489 13.743 1.00 82.50 5 A 1 ATOM 30 C CA . LEU A 1 5 ? -1.440 6.228 13.032 1.00 83.21 5 A 1 ATOM 31 C C . LEU A 1 5 ? -0.424 5.316 13.712 1.00 87.26 5 A 1 ATOM 32 O O . LEU A 1 5 ? 0.779 5.573 13.676 1.00 84.01 5 A 1 ATOM 33 C CB . LEU A 1 5 ? -1.139 6.468 11.548 1.00 78.30 5 A 1 ATOM 34 C CG . LEU A 1 5 ? -2.311 7.121 10.793 1.00 69.89 5 A 1 ATOM 35 C CD1 . LEU A 1 5 ? -1.815 7.762 9.494 1.00 66.85 5 A 1 ATOM 36 C CD2 . LEU A 1 5 ? -3.386 6.099 10.437 1.00 67.31 5 A 1 ATOM 37 N N . LYS A 1 6 ? -0.910 4.266 14.367 1.00 89.09 6 A 1 ATOM 38 C CA . LYS A 1 6 ? -0.042 3.220 14.902 1.00 90.15 6 A 1 ATOM 39 C C . LYS A 1 6 ? 0.893 2.741 13.783 1.00 91.56 6 A 1 ATOM 40 O O . LYS A 1 6 ? 0.440 2.622 12.640 1.00 91.30 6 A 1 ATOM 41 C CB . LYS A 1 6 ? -0.881 2.061 15.464 1.00 87.60 6 A 1 ATOM 42 C CG . LYS A 1 6 ? -1.323 2.314 16.911 1.00 78.50 6 A 1 ATOM 43 C CD . LYS A 1 6 ? -2.148 1.134 17.443 1.00 75.91 6 A 1 ATOM 44 C CE . LYS A 1 6 ? -2.449 1.314 18.931 1.00 69.33 6 A 1 ATOM 45 N NZ . LYS A 1 6 ? -3.294 0.210 19.468 1.00 61.89 6 A 1 ATOM 46 N N . PRO A 1 7 ? 2.171 2.435 14.074 1.00 93.31 7 A 1 ATOM 47 C CA . PRO A 1 7 ? 3.135 1.997 13.057 1.00 94.08 7 A 1 ATOM 48 C C . PRO A 1 7 ? 2.618 0.810 12.233 1.00 95.04 7 A 1 ATOM 49 O O . PRO A 1 7 ? 2.860 0.742 11.032 1.00 93.11 7 A 1 ATOM 50 C CB . PRO A 1 7 ? 4.414 1.662 13.836 1.00 91.73 7 A 1 ATOM 51 C CG . PRO A 1 7 ? 3.957 1.479 15.284 1.00 88.19 7 A 1 ATOM 52 C CD . PRO A 1 7 ? 2.772 2.424 15.397 1.00 90.23 7 A 1 ATOM 53 N N . TRP A 1 8 ? 1.806 -0.064 12.835 1.00 92.76 8 A 1 ATOM 54 C CA . TRP A 1 8 ? 1.117 -1.155 12.145 1.00 93.52 8 A 1 ATOM 55 C C . TRP A 1 8 ? 0.153 -0.686 11.052 1.00 95.07 8 A 1 ATOM 56 O O . TRP A 1 8 ? 0.094 -1.292 9.987 1.00 93.74 8 A 1 ATOM 57 C CB . TRP A 1 8 ? 0.372 -2.000 13.185 1.00 92.13 8 A 1 ATOM 58 C CG . TRP A 1 8 ? 1.133 -3.216 13.567 1.00 83.39 8 A 1 ATOM 59 C CD1 . TRP A 1 8 ? 2.000 -3.346 14.592 1.00 75.68 8 A 1 ATOM 60 C CD2 . TRP A 1 8 ? 1.116 -4.506 12.887 1.00 78.60 8 A 1 ATOM 61 N NE1 . TRP A 1 8 ? 2.525 -4.627 14.593 1.00 70.87 8 A 1 ATOM 62 C CE2 . TRP A 1 8 ? 2.010 -5.378 13.565 1.00 77.59 8 A 1 ATOM 63 C CE3 . TRP A 1 8 ? 0.426 -5.010 11.772 1.00 65.97 8 A 1 ATOM 64 C CZ2 . TRP A 1 8 ? 2.210 -6.710 13.143 1.00 72.84 8 A 1 ATOM 65 C CZ3 . TRP A 1 8 ? 0.623 -6.345 11.348 1.00 68.88 8 A 1 ATOM 66 C CH2 . TRP A 1 8 ? 1.510 -7.186 12.030 1.00 68.69 8 A 1 ATOM 67 N N . THR A 1 9 ? -0.578 0.409 11.278 1.00 93.68 9 A 1 ATOM 68 C CA . THR A 1 9 ? -1.517 0.954 10.289 1.00 93.97 9 A 1 ATOM 69 C C . THR A 1 9 ? -0.773 1.526 9.088 1.00 95.05 9 A 1 ATOM 70 O O . THR A 1 9 ? -1.210 1.339 7.957 1.00 94.55 9 A 1 ATOM 71 C CB . THR A 1 9 ? -2.400 2.042 10.914 1.00 92.64 9 A 1 ATOM 72 O OG1 . THR A 1 9 ? -2.931 1.599 12.145 1.00 83.04 9 A 1 ATOM 73 C CG2 . THR A 1 9 ? -3.580 2.417 10.026 1.00 80.36 9 A 1 ATOM 74 N N . VAL A 1 10 ? 0.363 2.176 9.309 1.00 94.94 10 A 1 ATOM 75 C CA . VAL A 1 10 ? 1.212 2.703 8.231 1.00 95.16 10 A 1 ATOM 76 C C . VAL A 1 10 ? 1.776 1.556 7.393 1.00 96.00 10 A 1 ATOM 77 O O . VAL A 1 10 ? 1.646 1.576 6.172 1.00 95.97 10 A 1 ATOM 78 C CB . VAL A 1 10 ? 2.342 3.584 8.788 1.00 94.26 10 A 1 ATOM 79 C CG1 . VAL A 1 10 ? 3.229 4.131 7.669 1.00 90.59 10 A 1 ATOM 80 C CG2 . VAL A 1 10 ? 1.777 4.773 9.571 1.00 90.61 10 A 1 ATOM 81 N N . VAL A 1 11 ? 2.331 0.531 8.034 1.00 95.64 11 A 1 ATOM 82 C CA . VAL A 1 11 ? 2.867 -0.654 7.344 1.00 95.86 11 A 1 ATOM 83 C C . VAL A 1 11 ? 1.774 -1.364 6.542 1.00 96.56 11 A 1 ATOM 84 O O . VAL A 1 11 ? 1.987 -1.665 5.370 1.00 96.76 11 A 1 ATOM 85 C CB . VAL A 1 11 ? 3.534 -1.613 8.344 1.00 95.29 11 A 1 ATOM 86 C CG1 . VAL A 1 11 ? 3.958 -2.933 7.694 1.00 92.22 11 A 1 ATOM 87 C CG2 . VAL A 1 11 ? 4.789 -0.969 8.942 1.00 92.21 11 A 1 ATOM 88 N N . ALA A 1 12 ? 0.595 -1.573 7.126 1.00 96.16 12 A 1 ATOM 89 C CA . ALA A 1 12 ? -0.526 -2.200 6.430 1.00 96.15 12 A 1 ATOM 90 C C . ALA A 1 12 ? -0.981 -1.378 5.212 1.00 96.74 12 A 1 ATOM 91 O O . ALA A 1 12 ? -1.191 -1.936 4.139 1.00 96.45 12 A 1 ATOM 92 C CB . ALA A 1 12 ? -1.672 -2.402 7.432 1.00 95.39 12 A 1 ATOM 93 N N . THR A 1 13 ? -1.079 -0.062 5.349 1.00 95.22 13 A 1 ATOM 94 C CA . THR A 1 13 ? -1.479 0.824 4.245 1.00 95.18 13 A 1 ATOM 95 C C . THR A 1 13 ? -0.458 0.795 3.109 1.00 96.35 13 A 1 ATOM 96 O O . THR A 1 13 ? -0.843 0.684 1.949 1.00 96.03 13 A 1 ATOM 97 C CB . THR A 1 13 ? -1.668 2.263 4.738 1.00 94.08 13 A 1 ATOM 98 O OG1 . THR A 1 13 ? -2.603 2.306 5.792 1.00 86.75 13 A 1 ATOM 99 C CG2 . THR A 1 13 ? -2.201 3.193 3.651 1.00 84.97 13 A 1 ATOM 100 N N . VAL A 1 14 ? 0.834 0.852 3.429 1.00 96.09 14 A 1 ATOM 101 C CA . VAL A 1 14 ? 1.907 0.767 2.427 1.00 96.30 14 A 1 ATOM 102 C C . VAL A 1 14 ? 1.890 -0.594 1.730 1.00 97.06 14 A 1 ATOM 103 O O . VAL A 1 14 ? 1.965 -0.642 0.505 1.00 96.87 14 A 1 ATOM 104 C CB . VAL A 1 14 ? 3.277 1.049 3.067 1.00 95.74 14 A 1 ATOM 105 C CG1 . VAL A 1 14 ? 4.442 0.789 2.106 1.00 93.57 14 A 1 ATOM 106 C CG2 . VAL A 1 14 ? 3.371 2.517 3.505 1.00 93.20 14 A 1 ATOM 107 N N . LEU A 1 15 ? 1.730 -1.681 2.484 1.00 96.96 15 A 1 ATOM 108 C CA . LEU A 1 15 ? 1.682 -3.032 1.921 1.00 96.89 15 A 1 ATOM 109 C C . LEU A 1 15 ? 0.505 -3.200 0.950 1.00 97.31 15 A 1 ATOM 110 O O . LEU A 1 15 ? 0.689 -3.705 -0.154 1.00 97.48 15 A 1 ATOM 111 C CB . LEU A 1 15 ? 1.587 -4.048 3.074 1.00 96.65 15 A 1 ATOM 112 C CG . LEU A 1 15 ? 2.013 -5.462 2.636 1.00 88.29 15 A 1 ATOM 113 C CD1 . LEU A 1 15 ? 3.505 -5.671 2.911 1.00 86.37 15 A 1 ATOM 114 C CD2 . LEU A 1 15 ? 1.228 -6.521 3.408 1.00 88.28 15 A 1 ATOM 115 N N . ILE A 1 16 ? -0.688 -2.740 1.334 1.00 97.46 16 A 1 ATOM 116 C CA . ILE A 1 16 ? -1.882 -2.778 0.480 1.00 97.31 16 A 1 ATOM 117 C C . ILE A 1 16 ? -1.660 -1.933 -0.778 1.00 97.62 16 A 1 ATOM 118 O O . ILE A 1 16 ? -1.967 -2.383 -1.881 1.00 97.35 16 A 1 ATOM 119 C CB . ILE A 1 16 ? -3.121 -2.319 1.276 1.00 96.84 16 A 1 ATOM 120 C CG1 . ILE A 1 16 ? -3.481 -3.363 2.359 1.00 94.78 16 A 1 ATOM 121 C CG2 . ILE A 1 16 ? -4.335 -2.096 0.354 1.00 93.91 16 A 1 ATOM 122 C CD1 . ILE A 1 16 ? -4.431 -2.827 3.433 1.00 87.06 16 A 1 ATOM 123 N N . CYS A 1 17 ? -1.100 -0.738 -0.634 1.00 97.08 17 A 1 ATOM 124 C CA . CYS A 1 17 ? -0.836 0.142 -1.770 1.00 97.11 17 A 1 ATOM 125 C C . CYS A 1 17 ? 0.150 -0.501 -2.761 1.00 97.57 17 A 1 ATOM 126 O O . CYS A 1 17 ? -0.097 -0.495 -3.964 1.00 97.02 17 A 1 ATOM 127 C CB . CYS A 1 17 ? -0.323 1.486 -1.233 1.00 96.50 17 A 1 ATOM 128 S SG . CYS A 1 17 ? -0.542 2.781 -2.470 1.00 88.91 17 A 1 ATOM 129 N N . VAL A 1 18 ? 1.222 -1.119 -2.261 1.00 97.49 18 A 1 ATOM 130 C CA . VAL A 1 18 ? 2.200 -1.838 -3.091 1.00 97.40 18 A 1 ATOM 131 C C . VAL A 1 18 ? 1.553 -3.037 -3.787 1.00 97.56 18 A 1 ATOM 132 O O . VAL A 1 18 ? 1.752 -3.214 -4.986 1.00 96.97 18 A 1 ATOM 133 C CB . VAL A 1 18 ? 3.416 -2.265 -2.250 1.00 96.99 18 A 1 ATOM 134 C CG1 . VAL A 1 18 ? 4.364 -3.200 -3.006 1.00 95.34 18 A 1 ATOM 135 C CG2 . VAL A 1 18 ? 4.235 -1.036 -1.834 1.00 95.03 18 A 1 ATOM 136 N N . LEU A 1 19 ? 0.747 -3.824 -3.082 1.00 97.31 19 A 1 ATOM 137 C CA . LEU A 1 19 ? 0.045 -4.969 -3.671 1.00 96.89 19 A 1 ATOM 138 C C . LEU A 1 19 ? -0.937 -4.544 -4.766 1.00 96.94 19 A 1 ATOM 139 O O . LEU A 1 19 ? -0.991 -5.187 -5.813 1.00 96.55 19 A 1 ATOM 140 C CB . LEU A 1 19 ? -0.700 -5.738 -2.565 1.00 96.61 19 A 1 ATOM 141 C CG . LEU A 1 19 ? 0.215 -6.596 -1.676 1.00 92.09 19 A 1 ATOM 142 C CD1 . LEU A 1 19 ? -0.571 -7.085 -0.459 1.00 89.15 19 A 1 ATOM 143 C CD2 . LEU A 1 19 ? 0.749 -7.819 -2.423 1.00 90.25 19 A 1 ATOM 144 N N . LEU A 1 20 ? -1.672 -3.450 -4.565 1.00 97.03 20 A 1 ATOM 145 C CA . LEU A 1 20 ? -2.573 -2.903 -5.579 1.00 96.36 20 A 1 ATOM 146 C C . LEU A 1 20 ? -1.799 -2.391 -6.797 1.00 96.60 20 A 1 ATOM 147 O O . LEU A 1 20 ? -2.181 -2.695 -7.928 1.00 96.02 20 A 1 ATOM 148 C CB . LEU A 1 20 ? -3.426 -1.786 -4.958 1.00 95.94 20 A 1 ATOM 149 C CG . LEU A 1 20 ? -4.501 -2.282 -3.971 1.00 91.25 20 A 1 ATOM 150 C CD1 . LEU A 1 20 ? -5.138 -1.079 -3.271 1.00 87.37 20 A 1 ATOM 151 C CD2 . LEU A 1 20 ? -5.606 -3.076 -4.664 1.00 88.04 20 A 1 ATOM 152 N N . CYS A 1 21 ? -0.686 -1.686 -6.589 1.00 96.80 21 A 1 ATOM 153 C CA . CYS A 1 21 ? 0.164 -1.222 -7.685 1.00 96.89 21 A 1 ATOM 154 C C . CYS A 1 21 ? 0.782 -2.390 -8.467 1.00 97.06 21 A 1 ATOM 155 O O . CYS A 1 21 ? 0.795 -2.356 -9.691 1.00 95.90 21 A 1 ATOM 156 C CB . CYS A 1 21 ? 1.262 -0.306 -7.129 1.00 96.16 21 A 1 ATOM 157 S SG . CYS A 1 21 ? 0.581 1.295 -6.615 1.00 89.58 21 A 1 ATOM 158 N N . LEU A 1 22 ? 1.258 -3.441 -7.783 1.00 96.88 22 A 1 ATOM 159 C CA . LEU A 1 22 ? 1.764 -4.646 -8.447 1.00 96.59 22 A 1 ATOM 160 C C . LEU A 1 22 ? 0.653 -5.387 -9.195 1.00 96.82 22 A 1 ATOM 161 O O . LEU A 1 22 ? 0.877 -5.827 -10.317 1.00 96.08 22 A 1 ATOM 162 C CB . LEU A 1 22 ? 2.435 -5.597 -7.439 1.00 96.10 22 A 1 ATOM 163 C CG . LEU A 1 22 ? 3.968 -5.493 -7.429 1.00 92.02 22 A 1 ATOM 164 C CD1 . LEU A 1 22 ? 4.461 -4.342 -6.560 1.00 86.72 22 A 1 ATOM 165 C CD2 . LEU A 1 22 ? 4.577 -6.792 -6.896 1.00 86.91 22 A 1 ATOM 166 N N . GLY A 1 23 ? -0.531 -5.512 -8.593 1.00 96.82 23 A 1 ATOM 167 C CA . GLY A 1 23 ? -1.678 -6.162 -9.222 1.00 96.43 23 A 1 ATOM 168 C C . GLY A 1 23 ? -2.097 -5.461 -10.510 1.00 96.89 23 A 1 ATOM 169 O O . GLY A 1 23 ? -2.248 -6.115 -11.539 1.00 95.86 23 A 1 ATOM 170 N N . THR A 1 24 ? -2.187 -4.131 -10.490 1.00 96.52 24 A 1 ATOM 171 C CA . THR A 1 24 ? -2.510 -3.352 -11.695 1.00 96.31 24 A 1 ATOM 172 C C . THR A 1 24 ? -1.410 -3.416 -12.753 1.00 96.58 24 A 1 ATOM 173 O O . THR A 1 24 ? -1.716 -3.374 -13.936 1.00 94.50 24 A 1 ATOM 174 C CB . THR A 1 24 ? -2.794 -1.883 -11.364 1.00 95.10 24 A 1 ATOM 175 O OG1 . THR A 1 24 ? -1.769 -1.301 -10.599 1.00 88.64 24 A 1 ATOM 176 C CG2 . THR A 1 24 ? -4.092 -1.723 -10.573 1.00 84.50 24 A 1 ATOM 177 N N . PHE A 1 25 ? -0.137 -3.543 -12.352 1.00 96.38 25 A 1 ATOM 178 C CA . PHE A 1 25 ? 0.972 -3.674 -13.297 1.00 96.14 25 A 1 ATOM 179 C C . PHE A 1 25 ? 1.018 -5.056 -13.962 1.00 96.39 25 A 1 ATOM 180 O O . PHE A 1 25 ? 1.437 -5.168 -15.110 1.00 95.07 25 A 1 ATOM 181 C CB . PHE A 1 25 ? 2.284 -3.379 -12.565 1.00 95.33 25 A 1 ATOM 182 C CG . PHE A 1 25 ? 3.473 -3.270 -13.490 1.00 91.83 25 A 1 ATOM 183 C CD1 . PHE A 1 25 ? 4.306 -4.377 -13.718 1.00 86.32 25 A 1 ATOM 184 C CD2 . PHE A 1 25 ? 3.723 -2.062 -14.161 1.00 87.18 25 A 1 ATOM 185 C CE1 . PHE A 1 25 ? 5.387 -4.281 -14.605 1.00 86.28 25 A 1 ATOM 186 C CE2 . PHE A 1 25 ? 4.803 -1.960 -15.051 1.00 87.38 25 A 1 ATOM 187 C CZ . PHE A 1 25 ? 5.634 -3.070 -15.274 1.00 85.75 25 A 1 ATOM 188 N N . VAL A 1 26 ? 0.603 -6.110 -13.242 1.00 95.59 26 A 1 ATOM 189 C CA . VAL A 1 26 ? 0.545 -7.479 -13.785 1.00 94.87 26 A 1 ATOM 190 C C . VAL A 1 26 ? -0.697 -7.686 -14.663 1.00 94.41 26 A 1 ATOM 191 O O . VAL A 1 26 ? -0.656 -8.504 -15.582 1.00 92.67 26 A 1 ATOM 192 C CB . VAL A 1 26 ? 0.606 -8.507 -12.635 1.00 93.03 26 A 1 ATOM 193 C CG1 . VAL A 1 26 ? 0.370 -9.952 -13.089 1.00 85.86 26 A 1 ATOM 194 C CG2 . VAL A 1 26 ? 1.985 -8.479 -11.964 1.00 84.77 26 A 1 ATOM 195 N N . ASP A 1 27 ? -1.778 -6.962 -14.385 1.00 91.52 27 A 1 ATOM 196 C CA . ASP A 1 27 ? -3.025 -7.027 -15.162 1.00 90.30 27 A 1 ATOM 197 C C . ASP A 1 27 ? -2.994 -6.136 -16.421 1.00 88.61 27 A 1 ATOM 198 O O . ASP A 1 27 ? -3.797 -6.328 -17.331 1.00 83.17 27 A 1 ATOM 199 C CB . ASP A 1 27 ? -4.188 -6.653 -14.228 1.00 87.24 27 A 1 ATOM 200 C CG . ASP A 1 27 ? -5.554 -7.109 -14.727 1.00 79.05 27 A 1 ATOM 201 O OD1 . ASP A 1 27 ? -6.369 -6.233 -15.096 1.00 70.96 27 A 1 ATOM 202 O OD2 . ASP A 1 27 ? -5.819 -8.328 -14.661 1.00 72.39 27 A 1 ATOM 203 N N . ALA A 1 28 ? -2.069 -5.183 -16.496 1.00 89.65 28 A 1 ATOM 204 C CA . ALA A 1 28 ? -1.902 -4.255 -17.615 1.00 87.41 28 A 1 ATOM 205 C C . ALA A 1 28 ? -0.914 -4.748 -18.679 1.00 82.51 28 A 1 ATOM 206 O O . ALA A 1 28 ? 0.098 -5.379 -18.316 1.00 75.51 28 A 1 ATOM 207 C CB . ALA A 1 28 ? -1.504 -2.879 -17.074 1.00 81.64 28 A 1 ATOM 208 O OXT . ALA A 1 28 ? -1.166 -4.467 -19.875 1.00 71.15 28 A 1 #